CID 11796606
PubChem CID: 11796606
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL517633 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C24H40O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YCGYYZXBHVNOIX-VBKRYCECSA-N |
| Fcsp3 | 0.9583333333333334 |
| Logs | -4.869 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.777 |
| Compound Name | CID 11796606 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.282 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 424.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0685836 |
| Inchi | InChI=1S/C24H40O6/c1-15-13-17(28-16(2)25)19-21(3,4)9-8-10-22(19,5)24(15)12-11-23(30-24)14-18(26-6)29-20(23)27-7/h15,17-20H,8-14H2,1-7H3/t15-,17-,18-,19+,20-,22+,23+,24-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]([C@@H]2[C@@]([C@@]13CC[C@]4(O3)C[C@@H](O[C@H]4OC)OC)(CCCC2(C)C)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients